按“信号通路”分类 - 小分子和化合物库

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D-赤型鞘氨醇-1-磷酸
- ≥98%
CAS号: 26993-30-6

分子式: C₁₈H₃₈NO₅P 分子量: 379.472

IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate

SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O

InChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-N

InChI: 1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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Ponesimod,磷酸鞘氨醇受体激动剂
- ≥97%
CAS号: 854107-55-4 Compound CID : 11363176

分子式: C23H25ClN2O4S 分子量: 460.974

IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C

InChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-N

InChI: 1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
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塞拉非莫德
- ≥97%
CAS号: 891859-12-4

分子式: C₂₇H₃₃NO₄ 分子量: 435.564

IUPAC Name: 1-[[6-[(2-methoxy-4-propylphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

SMILES: CCCC1=CC(=C(C=C1)COC2=CC3=C(C=C2)C(=C(CC3)CN4CC(C4)C(=O)O)C)OC

InChIKey: QDDQIPUKAXBMBX-UHFFFAOYSA-N

InChI: 1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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芬戈莫德
- ≥97%
CAS号: 162359-55-9

分子式: C₁₉H₃₃NO₂ 分子量: 307.47

IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol

SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N

InChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-N

InChI: 1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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CYM 50308,S1P4激动剂
- ≥97%
CAS号: 1345858-76-5 Compound CID : 49835928

分子式: C₂₀H₂₁F₂N₃O₂S 分子量: 405.46

IUPAC Name: (5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one

SMILES: CC1=CC(=C(N1C2=C(C=C(C=C2)F)F)C)C=C3C(=O)N(C(=NCCOC)S3)C

InChIKey: BKQZKTRCUAWRHT-ONBPWHQPSA-N

InChI: 1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20?
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CYM 50260,S1P4激动剂
- ≥98%(HPLC)
CAS号: 1355026-60-6

分子式: C₁₄H₁₁Cl₃FNO₂ 分子量: 350.6

IUPAC Name: 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(fluoromethyl)pyridine

SMILES: C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)CF)Cl

InChIKey: FHPOTBQOUBMMCI-UHFFFAOYSA-N

InChI: 1S/C14H11Cl3FNO2/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-18)19-14(13)17/h1-4,7H,5-6,8H2
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CS 2100,S1P1激动剂
- ≥97%(HPLC)
CAS号: 913827-99-3

分子式: C₂₅H₂₃N₃O₄S 分子量: 461.53

IUPAC Name: 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid

SMILES: CCC1=C(SC(=C1)CN2CC(C2)C(=O)O)C3=NOC(=N3)C4=CC=C(C=C4)OC5=CC=CC=C5

InChIKey: DWVJASHDNJMDNH-UHFFFAOYSA-N

InChI: 1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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FTY720磷酸盐
- ≥95%
CAS号: 402615-91-2

分子式: C₁₉H₃₄NO₅P 分子量: 387.45

IUPAC Name: [2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate

SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N

InChIKey: LRFKWQGGENFBFO-UHFFFAOYSA-N

InChI: 1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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FTY720（R）-磷酸盐
- ≥98%
CAS号: 402616-23-3

分子式: C₁₉H₃₄NO₅P 分子量: 387.5

IUPAC Name: [2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate

SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N

InChIKey: LRFKWQGGENFBFO-UHFFFAOYSA-N

InChI: 1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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FTY720（S）-磷酸盐
- ≥98%
CAS号: 402616-26-6

分子式: C₁₉H₃₄NO₅P 分子量: 387.45

IUPAC Name: [(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate

SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N

InChIKey: LRFKWQGGENFBFO-IBGZPJMESA-N

InChI: 1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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辛波莫德(BAF312)
- ≥98%
CAS号: 1230487-00-9 Compound CID : 44599207

分子式: C₂₉H₃₅F₃N₂O₃ 分子量: 516.6

IUPAC Name: 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid

SMILES: CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O

InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N

InChI: 1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
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奥扎莫德（RPC1063）
- ≥98%
CAS号: 1306760-87-1

分子式: C₂₃H₂₄N₄O₃ 分子量: 404.46

IUPAC Name: 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

SMILES: CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#N

InChIKey: XRVDGNKRPOAQTN-FQEVSTJZSA-N

InChI: 1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
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